2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole

C18H18N2O — CID 118864171

IUPAC2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(CC4CCCC4)nc3c2)ccn1
InChIInChI=1S/C18H18N2O/c1-2-4-13(3-1)11-18-20-16-12-15(5-6-17(16)21-18)14-7-9-19-10-8-14/h5-10,12-13H,1-4,11H2
InChIKeyAVDRWLZGJUBWIM-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.62
Rot. Bonds3

About 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole

2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole (PubChem CID 118864171) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole
PubChem CID118864171
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(CC4CCCC4)nc3c2)ccn1
InChIInChI=1S/C18H18N2O/c1-2-4-13(3-1)11-18-20-16-12-15(5-6-17(16)21-18)14-7-9-19-10-8-14/h5-10,12-13H,1-4,11H2
InChIKeyAVDRWLZGJUBWIM-UHFFFAOYSA-N
XLogP4.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole?
The IUPAC name of 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole (CID 118864171) is 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole?
The canonical SMILES for 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole is c1cc(-c2ccc3oc(CC4CCCC4)nc3c2)ccn1.
What is the InChIKey of 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole?
The InChIKey is AVDRWLZGJUBWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-4-13(3-1)11-18-20-16-12-15(5-6-17(16)21-18)14-7-9-19-10-8-14/h5-10,12-13H,1-4,11H2.
What are the key properties of 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole?
2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole has a molecular weight of 278.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5-pyridin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 118864171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).